3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide

C21H26N4O3 — CID 60540359

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(Cc2cnn(C)c2)C(C)C)c1
InChIInChI=1S/C21H26N4O3/c1-14(2)25(12-17-10-22-24(5)11-17)21(26)18-7-6-8-19(9-18)27-13-20-15(3)23-28-16(20)4/h6-11,14H,12-13H2,1-5H3
InChIKeyCWGWZDCZXDIFOQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.65
Rot. Bonds7

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 60540359) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID60540359
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(Cc2cnn(C)c2)C(C)C)c1
InChIInChI=1S/C21H26N4O3/c1-14(2)25(12-17-10-22-24(5)11-17)21(26)18-7-6-8-19(9-18)27-13-20-15(3)23-28-16(20)4/h6-11,14H,12-13H2,1-5H3
InChIKeyCWGWZDCZXDIFOQ-UHFFFAOYSA-N
XLogP3.65
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 51089837
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
N-benzyl-N-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46540368
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 7964223
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 92614409
N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 31238590
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 40793044
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 9437481
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate
CID 18122654
cyanomethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2637058
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide (CID 60540359) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide is Cc1noc(C)c1COc1cccc(C(=O)N(Cc2cnn(C)c2)C(C)C)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is CWGWZDCZXDIFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(2)25(12-17-10-22-24(5)11-17)21(26)18-7-6-8-19(9-18)27-13-20-15(3)23-28-16(20)4/h6-11,14H,12-13H2,1-5H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 60540359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).